Information card for entry 4116276

Structure parameters

• Formula: C69 H60 N16 Ni4
• Calculated formula: C69 H60 N16 Ni4
• SMILES: [Ni]1234[Ni]5678[Ni]9%10%11%12[Ni](N(c%13[n]9c(N5c5[n]1cccc5)ccc%13)c1ccccc1)(N(c1[n]%10c(N6c5[n]2cccc5)ccc1)c1ccccc1)([n]1ccccc1N%11c1[n]7c(N3c2ccccc2)ccc1)[n]1ccccc1N%12c1[n]8c(N4c2ccccc2)ccc1.CCCCC
• Title of publication: Metal String Complexes: Synthesis and Crystal Structure of [Ni4(μ4-phdpda)4] and [Ni7(μ7-teptra)4Cl2] (H2phdpda = N-Phenyldipyridyldiamine and H3teptra = Tetrapyridyltriamine)
• Authors of publication: Shie-Yang Lai; Tzu-Wei Lin; Yu-Hua Chen; Chih-Chieh Wang; Gene-Hsiang Lee; Ming-hwa Yang; Man-kit Leung; Shie-Ming Peng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 250 - 251
• a: 15.2024 ± 0.0002 Å
• b: 24.4219 ± 0.0001 Å
• c: 17.1093 ± 0.0002 Å
• α: 90°
• β: 96.844 ± 0.001°
• γ: 90°
• Cell volume: 6306.93 ± 0.11 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for all reflections: 0.1421
• Weighted residual factors for significantly intense reflections: 0.1213
• Goodness-of-fit parameter for all reflections: 1.012
• Goodness-of-fit parameter for significantly intense reflections: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No